3-[5-methoxy-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-methoxy-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[5-methoxy-2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[5-methoxy-2-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[5-methoxy-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[5-methoxy-2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CCCS(=O)(=O)[O-])C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CCCS(=O)(=O)[O-])C)C

InChI

InChI=1S/C25H28N2O4S2/c1-25(2)19-9-5-6-10-20(19)26(3)23(25)11-7-12-24-27(15-8-16-33(28,29)30)21-17-18(31-4)13-14-22(21)32-24/h5-7,9-14,17H,8,15-16H2,1-4H3